(4R)-N-cyclohexyl-2-(4-ethylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C23H34N2O4S — CID 99740577

IUPAC(4R)-N-cyclohexyl-2-(4-ethylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCCc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC3CCCCC3)C3(CCOCC3)C2)cc1
InChIInChI=1S/C23H34N2O4S/c1-2-18-8-10-20(11-9-18)30(27,28)25-16-21(23(17-25)12-14-29-15-13-23)22(26)24-19-6-4-3-5-7-19/h8-11,19,21H,2-7,12-17H2,1H3,(H,24,26)/t21-/m1/s1
InChIKeyJILARFAHJSLFFU-OAQYLSRUSA-N
MW434.60 g/mol
LogP3.12
Rot. Bonds5

About (4R)-N-cyclohexyl-2-(4-ethylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

(4R)-N-cyclohexyl-2-(4-ethylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 99740577) has the molecular formula C23H34N2O4S and a molecular weight of 434.60 g/mol. Its IUPAC name is (4R)-N-cyclohexyl-2-(4-ethylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-cyclohexyl-2-(4-ethylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID99740577
Molecular FormulaC23H34N2O4S
Molecular Weight434.60 g/mol
Exact Mass434.22
IUPAC Name(4R)-N-cyclohexyl-2-(4-ethylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCCc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC3CCCCC3)C3(CCOCC3)C2)cc1
InChIInChI=1S/C23H34N2O4S/c1-2-18-8-10-20(11-9-18)30(27,28)25-16-21(23(17-25)12-14-29-15-13-23)22(26)24-19-6-4-3-5-7-19/h8-11,19,21H,2-7,12-17H2,1H3,(H,24,26)/t21-/m1/s1
InChIKeyJILARFAHJSLFFU-OAQYLSRUSA-N
XLogP3.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.60
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-cyclohexyl-2-(4-ethylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of (4R)-N-cyclohexyl-2-(4-ethylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 99740577) is (4R)-N-cyclohexyl-2-(4-ethylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for (4R)-N-cyclohexyl-2-(4-ethylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for (4R)-N-cyclohexyl-2-(4-ethylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is CCc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC3CCCCC3)C3(CCOCC3)C2)cc1.
What is the InChIKey of (4R)-N-cyclohexyl-2-(4-ethylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is JILARFAHJSLFFU-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H34N2O4S/c1-2-18-8-10-20(11-9-18)30(27,28)25-16-21(23(17-25)12-14-29-15-13-23)22(26)24-19-6-4-3-5-7-19/h8-11,19,21H,2-7,12-17H2,1H3,(H,24,26)/t21-/m1/s1.
What are the key properties of (4R)-N-cyclohexyl-2-(4-ethylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
(4R)-N-cyclohexyl-2-(4-ethylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 434.60 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-cyclohexyl-2-(4-ethylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 99740577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).